2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol

C15H28N2O — CID 79942978

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)C(N2CCN3CCCC3C2)C1
InChIInChI=1S/C15H28N2O/c1-15(2)6-5-14(18)13(10-15)17-9-8-16-7-3-4-12(16)11-17/h12-14,18H,3-11H2,1-2H3
InChIKeyILJXXHFOYCUVSU-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.71
Rot. Bonds1

About 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 79942978) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID79942978
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)C(N2CCN3CCCC3C2)C1
InChIInChI=1S/C15H28N2O/c1-15(2)6-5-14(18)13(10-15)17-9-8-16-7-3-4-12(16)11-17/h12-14,18H,3-11H2,1-2H3
InChIKeyILJXXHFOYCUVSU-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79931334
2-(4,4-dimethylazepan-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 65282366
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclopentan-1-ol
CID 63151120
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,2-dimethylcyclopentan-1-ol
CID 79935392
4,4-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 114539108
2-(2,2,3,3-tetramethylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944372
2-(2,2-dimethylcyclopentyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79944588
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 114762640
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79934726
(6R)-6-pyrrolidin-1-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 143932220
1-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
CID 81320841

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol (CID 79942978) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)C(N2CCN3CCCC3C2)C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is ILJXXHFOYCUVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2)6-5-14(18)13(10-15)17-9-8-16-7-3-4-12(16)11-17/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79942978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).